Geometry & MOs

Info

ID:	168412
PubChem CID:	74965410
Reduced:	ClON6C19H23 (1)
Stoich.:	ABC6D19E23 (1)
Weight, g/mol:	380.23246
ΔH_f, kcal/mol:	1.99
Dipole, Da:	6.59
IP(EA), eV:	-8.75(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylanilino)-6-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C2CC(=O)NC(N2)NC3=CC=C(C=C3)Cl)N4CCCC4

DOS

IR

Vibrations